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双（2-噻吩基）乙炔

Bis(2-thien-yl)acetyl-ene.

作者信息

Harcourt Emily M, Lynch Daniel E, Hamilton Darren G

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Sep 19;65(Pt 10):o2484. doi: 10.1107/S1600536809036812.

DOI:10.1107/S1600536809036812
PMID:21577935
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2970215/
Abstract

The planar [maximum deviation 0.0066 (4) Å] symmetrical mol-ecule of the title compound, C(10)H(6)S(2), lies across a crystallographic inversion centre. The thio-phene rings are rotationally disordered about the acetyl-ene bond, with the two pseudo inversion-related S atoms in 0.80:0.20 occupancy sites. The C C bond distance is 1.195 (9) Å.

摘要

标题化合物C(10)H(6)S(2)的平面[最大偏差0.0066 (4) Å]对称分子位于一个晶体学反演中心上。噻吩环围绕乙炔键发生旋转无序，两个假反演相关的S原子占据比例为0.80:0.20。C—C键长为1.195 (9) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5209/2970215/bd3c0481959a/e-65-o2484-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5209/2970215/bd3c0481959a/e-65-o2484-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5209/2970215/bd3c0481959a/e-65-o2484-fig1.jpg

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本文引用的文献

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Synthetic, mechanistic, and computational investigations of nitrile-alkyne cross-metathesis.腈-炔交叉复分解反应的合成、机理及计算研究
J Am Chem Soc. 2008 Jul 16;130(28):8984-99. doi: 10.1021/ja800020w. Epub 2008 Jun 20.
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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
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Rhodium-catalyzed [2 + 2 + 2] cycloaddition of alkenyl isocyanates and alkynes.铑催化的烯基异氰酸酯与炔烃的[2 + 2 + 2]环加成反应
J Am Chem Soc. 2006 Mar 8;128(9):2782-3. doi: 10.1021/ja057803c.
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One-pot synthesis of symmetrical and unsymmetrical bisarylethynes by a modification of the sonogashira coupling reaction.通过改良的Sonogashira偶联反应一锅法合成对称和不对称双芳基乙炔
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